SCHEMBL369753

SCHEMBL369753

CC1(C)OC[C@H](CCOS(C)(=O)=O)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.55
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
TSHR P16473 1/20 0.36
MAPK14 Q16539 2/20 0.33
CA1 P00915 3/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2077365 1.00 CA2 (0.55) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL1901250 1.00 CA2 (0.55) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL2748061 0.90 CA2 (0.53) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL20707263 0.89 CA2 (0.51) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL9152538 0.89 CA2 (0.51) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL1222790 0.83 CA2 (0.73) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL1416178 0.83 CA2 (0.73) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL849140 0.83 CA2 (0.73) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL2749426 0.83 CA2 (0.59) CA2ALDH1A1NPSR1KDM4EALOX15
SCHEMBL12359316 0.81 CA2 (0.50) CA2ALDH1A1NPSR1KDM4EALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3878451-A1 PHARMACEUTICAL COMPOSITION COMPRISING A JAK-INHIBITING 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINE COMPOUND Array Biopharma Inc. (US) 2021-09-15 EP disclosed
US-11028093-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-06-08 US disclosed
US-10808246-B2 Oligonucleotide-ligand conjugates and process for their preparation ALNYLAM PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-20200291039-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-09-17 US disclosed
US-10189845-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-29 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 US disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION BANK OF AMERICA, N.A. 2016-12-29 US disclosed
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 WO disclosed
WO-2015006740-A2 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-15 WO disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
WO-2009097578-A1 OXIM DERIVATIVES AS HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-06 WO disclosed
CN-101472904-A Diazepan derivatives modulators of chemokine receptors HOFFMANN LA ROCHE (CH) 2009-07-01 CN disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US disclosed
EP-0055239-B1 NOVEL DERIVATIVES OF GUANINE Astra Läkemedel Aktiebolag (SE) 1986-07-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160376585-A1 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION IGF2R, IRS1, INSR CA2 4677/4885ALDH1A1 1084/4885NPSR1 584/4885
US-20090305998-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 CA2 4094/4885ALDH1A1 1601/4885NPSR1 4385/4885
US-10808246-B2 Oligonucleotide-ligand conjugates and process for their preparation RTCB, IGF2BP2, SNRPE CA2 4856/4885ALDH1A1 1611/4885NPSR1 753/4885
US-20200291039-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CA2 3437/4885ALDH1A1 1526/4885NPSR1 2228/4885
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CA2 3437/4885ALDH1A1 1526/4885NPSR1 2228/4885
US-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 CA2 680/4885ALDH1A1 2871/4885NPSR1 143/4885
US-10189845-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors JAK1, JAK3, JAK2 CA2 3437/4885ALDH1A1 1526/4885NPSR1 2228/4885
US-11028093-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors JAK1, JAK3, JAK2 CA2 3437/4885ALDH1A1 1526/4885NPSR1 2228/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.